2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one

C16H15NO3Se — CID 166635160

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
SMILESCOc1ccc(Cn2[se]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C16H15NO3Se/c1-19-12-8-7-11(14(9-12)20-2)10-17-16(18)13-5-3-4-6-15(13)21-17/h3-9H,10H2,1-2H3
InChIKeyCSRGTYBEJPCJDH-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.12
Rot. Bonds4

About 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one

2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one (PubChem CID 166635160) has the molecular formula C16H15NO3Se and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
PubChem CID166635160
Molecular FormulaC16H15NO3Se
Molecular Weight348.26 g/mol
Exact Mass349.02
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
SMILESCOc1ccc(Cn2[se]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C16H15NO3Se/c1-19-12-8-7-11(14(9-12)20-2)10-17-16(18)13-5-3-4-6-15(13)21-17/h3-9H,10H2,1-2H3
InChIKeyCSRGTYBEJPCJDH-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 58852253
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
3-[(2,4-dimethoxyphenyl)methyl]-2-(4-methoxy-2,5-dimethylphenyl)quinazolin-4-one
CID 46084209
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one
CID 162652693
2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyldisulfanyl]ethyl]-1,2-benzoselenazol-3-one
CID 10962321
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
2-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)-7-phenylisoquinolin-1-one
CID 167498310
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 94073209
(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 131864147

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one (CID 166635160) is 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one is COc1ccc(Cn2[se]c3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one?
The InChIKey is CSRGTYBEJPCJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3Se/c1-19-12-8-7-11(14(9-12)20-2)10-17-16(18)13-5-3-4-6-15(13)21-17/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one?
2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one has a molecular weight of 348.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one is sourced from PubChem (CID 166635160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).